2-(4-hydroxy-2,2-dimethylbutyl)guanidine

C7H17N3O — CID 103711694

IUPAC2-(4-hydroxy-2,2-dimethylbutyl)guanidine
SMILESCC(C)(CCO)CN=C(N)N
InChIInChI=1S/C7H17N3O/c1-7(2,3-4-11)5-10-6(8)9/h11H,3-5H2,1-2H3,(H4,8,9,10)
InChIKeyHTPNVXINTMAXCA-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.33
Rot. Bonds4

About 2-(4-hydroxy-2,2-dimethylbutyl)guanidine

2-(4-hydroxy-2,2-dimethylbutyl)guanidine (PubChem CID 103711694) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(4-hydroxy-2,2-dimethylbutyl)guanidine.

Molecular Properties

Compound Name2-(4-hydroxy-2,2-dimethylbutyl)guanidine
PubChem CID103711694
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name2-(4-hydroxy-2,2-dimethylbutyl)guanidine
SMILESCC(C)(CCO)CN=C(N)N
InChIInChI=1S/C7H17N3O/c1-7(2,3-4-11)5-10-6(8)9/h11H,3-5H2,1-2H3,(H4,8,9,10)
InChIKeyHTPNVXINTMAXCA-UHFFFAOYSA-N
XLogP-0.33
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2,2-dimethylbutyl)guanidine?
The IUPAC name of 2-(4-hydroxy-2,2-dimethylbutyl)guanidine (CID 103711694) is 2-(4-hydroxy-2,2-dimethylbutyl)guanidine.
What is the SMILES notation for 2-(4-hydroxy-2,2-dimethylbutyl)guanidine?
The canonical SMILES for 2-(4-hydroxy-2,2-dimethylbutyl)guanidine is CC(C)(CCO)CN=C(N)N.
What is the InChIKey of 2-(4-hydroxy-2,2-dimethylbutyl)guanidine?
The InChIKey is HTPNVXINTMAXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-7(2,3-4-11)5-10-6(8)9/h11H,3-5H2,1-2H3,(H4,8,9,10).
What are the key properties of 2-(4-hydroxy-2,2-dimethylbutyl)guanidine?
2-(4-hydroxy-2,2-dimethylbutyl)guanidine has a molecular weight of 159.23 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2,2-dimethylbutyl)guanidine is sourced from PubChem (CID 103711694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).